Chem
J-GLOBAL ID：200907057891800489   Nikkaji number：J128.594G

Ptaquiloside

プタキロシド
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C20H30O8
Molecular formula furigana： C20-H30-O8
Molecular weight： 398.452
InChI： InChI=1S/C20H30O8/c1-9-6-20(28-17-15(25)14(24)13(23)11(8-21)27-17)7-10(2)19(4-5-19)18(3,26)16(20)12(9)22/h7,9,11,13-17,21,23-26H,4-6,8H2,1-3H3/t9-,11-,13-,14+,15-,16-,17+,18+,20-/m1/s1
InChI key： GPHSJPVUEZFIDE-YVPLJZHISA-N
SMILES： C[C@@H]1C[C@@]2(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C=C(C)C3(CC3)[C@@](C)(O)[C@H]2C1=O
Systematic name  (3)：
  • (2′R)-7′aβ-(β-D-グルコピラノシルオキシ)-1′,3′aβ,4′,7′a-テトラヒドロ-4′α-ヒドロキシ-2′β,4′,6′-トリメチルスピロ[シクロプロパン-1,5′-[5H]インデン]-3′(2′H)-オン
  • (2'R,3'aR,4'S,7'aR)-4'-ヒドロキシ-2',4',6'-トリメチル-7'a-{[(2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}-1',2',3',3'a,4',7'a-ヘキサヒドロスピロ[シクロプロパン-1,5'-インデン]-3'-オン
  • (2'R,3'aR,4'S,7'aR)-4'-hydroxy-2',4',6'-trimethyl-7'a-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1',2',3',3'a,4',7'a-hexahydrospiro[cyclopropane-1,5'-inden]-3'-one
Other name (5)：
  • プタキロシド
  • Ptaquiloside
  • (2′R)-7′aβ-(β-D-Glucopyranosyloxy)-1′,3′aβ,4′,7′a-tetrahydro-4′α-hydroxy-2′β,4′,6′-trimethylspiro[cyclopropane-1,5′-[5H]inden]-3′(2′H)-one
  • ブラキシンC
  • Braxin C
CAS registry number： 87625-62-5
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